Structure Information
Structure

Compound Identification

SMILES

OCC1CCCN1C1=CC(=C(C=C1)C(O)=O)[N+]([O-])=O

InChIKey

InChIKey=XNQTUWDUZHHKLQ-UHFFFAOYSA-N

Formula

C12H14N2O5

Mass

266.253

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzoate - 1-phenylpyrrolidine - Aminobenzoic acid or derivatives - Aminobenzoic acid - Benzoic acid - Nitrobenzene - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Pyrrolidine - Pyrrole - Amino acid - Organic nitro compound - C-nitro compound - 1,2-aminoalcohol - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Amine - Alcohol - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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